SCHEMBL12629680

SCHEMBL12629680

CSc1ccc(C(c2ccccc2)c2ccc(SC)[nH]2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
MEN1 O00255 2/20 0.33
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL12404436 0.86
SCHEMBL23996388 0.69 KMT2A (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL11932651 0.69 TP53 (0.38) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL24671964 0.67 SLC6A2 (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL16270678 0.67 SLC6A2 (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL11932649 0.66 SCN1A (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL11932650 0.66 HTR2A (0.41) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL12997361 0.66 HMBS (0.33) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL12246830 0.65 KMT2A (0.36) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL14613517 0.65 TAAR1 (0.40) KMT2AATMSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130079528-A1 GEOMETRIC SYNTHESIS OF PORPHYRIN RODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 US disclosed
US-7939656-B2 Geometric synthesis of porphyrin rods NORTH CAROLINA STATE UNIVERSITY (US) 2011-05-10 US disclosed
US-20100305314-A1 GEOMETRIC SYNTHESIS OF PORPHYRIN RODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-02 US disclosed
US-7799910-B2 Geometric synthesis of porphyrin rods NORTH CAROLINA STATE UNIVERSITY (US) 2010-09-21 US disclosed
US-20070155963-A1 Geometric synthesis of porphyrin rods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070155963-A1 Geometric synthesis of porphyrin rods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 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 (3 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-20130079528-A1 GEOMETRIC SYNTHESIS OF PORPHYRIN RODS PPOX, DLD, PYCR1 KMT2A 2866/4885ATM 4810/4885SLC6A2 4260/4885
US-20070155963-A1 Geometric synthesis of porphyrin rods PPOX, DLD, PYCR1 KMT2A 2866/4885ATM 4810/4885SLC6A2 4260/4885
US-20100305314-A1 GEOMETRIC SYNTHESIS OF PORPHYRIN RODS PPOX, DLD, PYCR1 KMT2A 2866/4885ATM 4810/4885SLC6A2 4260/4885

“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.