SCHEMBL6267441

SCHEMBL6267441

CSc1ccccc1NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7026748 0.91 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3897223 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3067229 0.77 L3MBTL1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12757681 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL18133119 0.74 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10021267 0.73 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL29496057 0.71 CYP3A4 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL18171997 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1011078 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL11679209 0.70 MAPT (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
EP-1274457-B1 METHOD AND COMPOSITIONS FOR THE TREATMENT OF ALLERGIC CONDITIONS USING PGD2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2005-11-30 EP disclosed
US-20030055077-A1 Method and compositions for the treatment of allergic conditions using pgd2 receptor antagonists JONES THOMAS R (CA) 2003-03-20 US disclosed
US-20010051624-A1 Method and compositions for the treatment of allergic conditions using PGD2 receptor antagonists JONES THOMAS R (CA) 2001-12-13 US disclosed
US-20010047027-A1 Prostaglandin D2 receptor antagonists LABELLE MARC (US) 2001-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ALDH1A1 607/4885KMT2A 3141/4885MEN1 3242/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ALDH1A1 607/4885KMT2A 3141/4885MEN1 3242/4885
US-20010047027-A1 Prostaglandin D2 receptor antagonists PTGDR2, PTGDR, LTB4R2 ALDH1A1 477/4885KMT2A 3963/4885MEN1 4560/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 ALDH1A1 607/4885KMT2A 3141/4885MEN1 3242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.