SCHEMBL11920183

SCHEMBL11920183

CCc1ccc(C(=O)c2ccc(C(C3=NCC=C3)c3ccc(C(C)(C)C)cc3)[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ESRRG P62508 1/20 0.31
SRD5A2 P31213 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
PKM P14618 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KLF5 Q13887 1/20 0.30
ABCB1 P08183 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
SCHEMBL8986294 0.79 GCGR (0.36) GCGRSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL11920182 0.77 BCHE (0.33) GCGRSRD5A2NPC1RAB9A
SCHEMBL8986320 0.75 MAPT (0.36) GCGRALDH1A1LMNASRD5A2NPC1
SCHEMBL11921695 0.73 MAPT (0.34) GCGRALDH1A1LMNASRD5A2NPC1
SCHEMBL8986337 0.73 MAPT (0.34) GCGRALDH1A1LMNAESRRGSRD5A2
SCHEMBL8986351 0.71 BCHE (0.35) GCGRSMN1; SMN2ALDH1A1LMNAESRRG
SCHEMBL13621651 0.67 SRD5A2 (0.63) SMN1; SMN2HPGDALDH1A1LMNAGAA
SCHEMBL13328292 0.64 ALDH1A1 (0.47) SMN1; SMN2HPGDALDH1A1LMNAGAA
SCHEMBL7472850 0.61 KDM4E (0.44) SMN1; SMN2HPGDALDH1A1LMNAGAA
SCHEMBL8904574 0.61 NPC1 (0.42) SMN1; SMN2HPGDALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 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 (1 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-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 GCGR 4832/4885SMN1; SMN2 3566/4885HPGD 284/4885

“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.