SCHEMBL26686244

SCHEMBL26686244

O=C(Nc1ccccc1)Nc1cc(I)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
PIM1 P11309 2/20 0.64
ADORA3 P0DMS8 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
FLT3 P36888 1/20 0.64
PIM3 Q86V86 1/20 0.64
AURKB Q96GD4 1/20 0.64
TAAR1 Q96RJ0 1/20 0.57
CNR1 P21554 2/20 0.57
LMNA P02545 2/20 0.56
SMARCA2 P51531 1/20 0.54
SMARCA4 P51532 1/20 0.54
TP53 P04637 5/20 0.53
TSHR P16473 2/20 0.53
EPHX1 P07099 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL11371375 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL12987908 0.80 ACVRL1 (0.43) NPC1RAB9ASMN1; SMN2TP53ACVRL1
SCHEMBL1269265 0.80 HDAC1 (0.51) KDRGSK3B
SCHEMBL24349065 0.79 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53ACVRL1
SCHEMBL1518723 0.79 CNR1 (0.69) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL9317689 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL4937781 0.78 RAB9A (0.59) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL25407042 0.78 TP53 (0.65) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL19880777 0.76 TP53 (0.65) NPC1RAB9ASMN1; SMN2TAAR1CNR1
SCHEMBL28513546 0.76 RAB9A (0.62) NPC1RAB9ASMN1; SMN2PIM1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 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 (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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB NPC1 1965/4885RAB9A 2770/4885SMN1; SMN2 3836/4885

“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.