SCHEMBL17823299

SCHEMBL17823299

COc1ccc(OC(F)F)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 4/20 0.63
THRB P10828 1/20 0.63
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
APP P05067 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41

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
SCHEMBL11074707 0.86 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL4323556 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL27932793 0.85 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL11068575 0.85 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL92071 0.80 ALDH1A1 (0.95) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL18072590 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL29373010 0.78 NR4A1 (0.56) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL28683526 0.78 ALDH1A1 (0.91) ALDH1A1MEN1KMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL2585553 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL5951484 0.78 NR4A1 (0.56) ALDH1A1MEN1KMT2AMAPTTHRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230274-B1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
EP-3230274-B1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
EP-3230274-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-10-18 EP disclosed
WO-2016091845-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 WO disclosed
WO-2016091845-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 WO 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 (2 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-10023539-B2 Aryl-cyanoguanidine compounds SMYD2, SETD2, SMYD3 ALDH1A1 3801/4885MEN1 703/4885KMT2A 36/4885
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 ALDH1A1 3996/4885MEN1 628/4885KMT2A 32/4885

“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.